Chemical
Open-source chemical kinetics, thermodynamics, and transport
An open-source suite for chemical kinetics, thermodynamics, and transport calculations in combustion, electrochemistry, and reacting-flow problems.
Fire Dynamics Simulator (FDS) is a large-eddy simulation (LES) code for low-speed flows, with an emphasis on smoke and heat transport from fires.
A NIST computational fluid dynamics model for simulating fire-driven smoke, heat, and gas transport in buildings and industrial facilities.
CoolProp is a thermophysical property database and wrappers for a selection of programming environments.
An open-source thermophysical-property library providing fluid, mixture, humid-air, and water/steam properties for engineering calculations.
RMG-Py: Chemical Kinetics and Mechanism Generation
A Python package for automatically generating and exploring chemical reaction mechanisms for combustion and pyrolysis systems.
A package useful for chemistry written in Python
A Python package for chemistry with tools for chemical kinetics, equilibria, thermodynamics, and equation solving.
DWSIM - Open Source Process Simulator
A steady-state and dynamic chemical process simulator for building, solving, and optimizing process flowsheets.
pycalphad is a Python library for computational thermodynamics using the CALPHAD method.
An open-source Python library for calculating phase equilibria and thermodynamic properties of multicomponent alloy systems.
Process Safety Management of Highly Hazardous Chemicals
The U.S. OSHA regulatory framework for preventing and mitigating catastrophic releases of highly hazardous chemicals.
ALOHA (Areal Locations of Hazardous Atmospheres) is a modeling program that estimates hazard zones associated with accidental chemical releases.
A U.S. EPA consequence-modeling tool for estimating hazard zones from toxic, flammable, and explosive chemical-release scenarios.